CID 3057951

74291-75-1

Structural Information

Molecular Formula
C17H30N2O2
SMILES
CC1(C2CN(CC(O1)(C=C2)C)C(C)(N3CCCCC3)O)C
InChI
InChI=1S/C17H30N2O2/c1-15(2)14-8-9-16(3,21-15)13-19(12-14)17(4,20)18-10-6-5-7-11-18/h8-9,14,20H,5-7,10-13H2,1-4H3
InChIKey
UJIMZWBASZICKV-UHFFFAOYSA-N
Compound name
1-piperidin-1-yl-1-(5,7,7-trimethyl-6-oxa-3-azabicyclo[3.2.2]non-8-en-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.23074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.238016 176.7
[M+Na]+ 317.219958 184.0
[M-H]- 293.223464 177.2
[M+NH4]+ 312.264563 193.8
[M+K]+ 333.193898 179.4
[M+H-H2O]+ 277.228000 172.6
[M+HCOO]- 339.228941 180.2
[M+CH3COO]- 353.244591 183.7
[M+Na-2H]- 315.205406 185.0
[M]+ 294.23019142 174.3
[M]- 294.23128858 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.